Thomas Furlani


Specializing In:

Information Technology High Performance Computing Computational Chemistry Scientific Programming

About Thomas Furlani


Roswell Park Comprehensive Cancer Center
  • Professor of Oncology
  • Chief Information Officer
  • Information Technology


Education and Training:

  • 1980-1985 - PhD - Theoretical Chemistry, State University of New York at Buffalo

Professional Memberships:

  • American Chemical Society
  • College of Healthcare Information Management Executives (CHIME)

Honors & Awards:

  • 1980-1984 - National Science Foundation Predoctoral Fellow


Research Overview:

  • Development and application of computational methods that can be utilized to study structure and reactivity in molecular systems.
  • Development of Open XDMoD, of a comprehensive framework for the management and optimization of high-performance computing systems (
  • Development Open ColdFront, an open source resource allocation management tool built for high-performance computing centers that allows the management of Center resources and User allocations (or subscriptions) to those resources (


Full Publications list on PubMed
  • J.T. Palmer, S.M. Gallo, T.R. Furlani, M.D. Jones, R.L. DeLeon, J.P. White, N. Simakov, A.K. Patra, J. Sperhac, T. Yearke, R. Rathsam, M. Innus, C.D. Cornelius, J.C. Browne, W.L. Barth, R.T. Evans, “Open XDMoD: A Tool for the Comprehensive Management of High Performance Computing Resources”, Computing in Science and Engineering (July/August 2015); 17(4):52-62, DOI:10.1109/MCSE.2015.68
  • N.A. Simakov, J.P. White, R.L. DeLeon, A. Ghadersohi, T.R. Furlani, M.D. Jones, S.M. Gallo, A.K. Patra, “Application Kernels: HPC Resources Performance Monitoring and Variance Analysis”, Concurrency and Computation: Practice and Experience (2015); 27:5238–5260, DOI: 10.1002/cpe.3564
  • N. A. Simakov, M. D. Innus, M. D. Jones, J. P. White, S. M. Gallo, R. L. DeLeon, and T. R. Furlani. Effect of Meltdown and Spectre Patches on the Performance of HPC Applications. arXiv:1801.04329 [Preprint]. 2018 [posted 12 Jan 2018; revised 16 Jan 2018]. Available from:
  • F. Liu, E. Proynov, J.G. Yu, T.R. Furlani, J. Kong, “Comparison of the Performance of Exact-Exchange-Based Density Functional Methods”, J. Chem. Phys. (2012); 137(11):114104, DOI: 10.1063/1.4752396
  • M. Freindorf, T.R. Furlani, J. Kong, V. Cody, F.B. Davis, P.J. Davis, “Combined QM/MM Study of Thyroid and Steroid Hormone Analogue Interactions with αvβ3 Integrin”, special issue of Journal of Biomedicine and Biotechnology, Advanced Computational Methods in Molecular Medicine (2012); 2012:959057, DOI:10.1155/2012/959057